H030-0018S Screening compound: 4-{(5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-4-oxo-2-thioxotetrahydro-1H-imidazol-1-yl}-2-fluoro-N-methylbenzamide

H030-0018S Screening compound: 4-{(5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-4-oxo-2-thioxotetrahydro-1H-imidazol-1-yl}-2-fluoro-N-methylbenzamide
H030-0018S Screening compound: 4-{(5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-4-oxo-2-thioxotetrahydro-1H-imidazol-1-yl}-2-fluoro-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H030-0018S
4-{(5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-4-oxo-2-thioxotetrahydro-1H-imidazol-1-yl}-2-fluoro-N-methylbenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

H030-0018S

Molecular Formula

C20H14F4N4O2S (C20 H14 F4 N4 O2 S)

Compound Name

4-{(5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-4-oxo-2-thioxotetrahydro-1H-imidazol-1-yl}-2-fluoro-N-methylbenzamide

IUPAC name

4-[(5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide

SMILES

C[C@@H](C(N(C1=S)c(cc2)cc(C(F)(F)F)c2C#N)=O)N1c(cc1)cc(F)c1C(NC)=O

InChI

InChI=1S/C20H14F4N4O2S/c1-10-18(30)28(12-4-3-11(9-25)15(7-12)20(22,23)24)19(31)27(10)13-5-6-14(16(21)8-13)17(29)26-2/h3-8,10H,1-2H3,(H,26,29)/t10-/m1/s1

InChI Key

SBAJQPWGSQXOSA-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-3.01

Polar Surface Area

59.438

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with H030-0018S chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H030-0018S?
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What is the minimum amount of H030-0018S you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H030-0018S
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H030-0018S
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of H030-0018S available by request